calphy-free-energy

Run a calphy mode: fe (or fe-qtb) calculation to get the absolute Helmholtz or Gibbs free energy of a solid or liquid at one temperature and pressure, and judge whether the number can be trusted. Use for single-point free energies, Einstein-crystal or Uhlenbeck-Ford reference runs, liquid melting cycles, quantum-corrected solid free energies, and for validating report.yaml from an fe run.